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Effect of Cross Sectional Geometry on Band Gap of Silicon Nanowires

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The electronic properties of very thin Silicon nanowires of different shapes were studied by ab-initio method using the generalized gradient approximation. We consider four different shapes of nanowires viz triangular, rectangular, pentagonal and hexagonal wire. The geometry optimization and the band gap of all nanowires were investigated. SiNWs exhibiting different patterns at the cross section show significant difference in their band gaps indicating that the electronic structures of SiNWs are much more sensitive to surface modification and the change of cross section. The present study reveals that band gap of a nanowire depends on cross sectional geometry not on cross sectional area.
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Keywords: CASTEP; DFT; GGA; NANOWIRES

Document Type: Research Article

Publication date: June 1, 2013

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  • Journal of Advanced Physics is an interdisciplinary peer-reviewed journal consolidating research activities in all experimental and theoretical aspects of advanced physics. The journal aims in publishing articles of novel and frontier physics that merit the attention and interest of the whole physics community. JAP publishes review articles, full research articles, short communications of important new scientific and technological findings in all latest research aspects of physics.
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